Empirical Formula: C9H5ClN2O3
Molecular Weight: 224.6006g/mol
Structure of 6-Chloro-4-nitroquinoline 1-oxide (CAS NO.3741-12-6):
Index of Refraction: 1.677
Molar Refractivity: 53.98 cm3
Molar Volume: 143.2 cm3
Polarizability: 21.4×10-24cm3
Surface Tension: 64.7 dyne/cm
Density: 1.56 g/cm3
Flash Point: 207.4 °C
Enthalpy of Vaporization: 64.7 kJ/mol
Boiling Point: 419.4 °C at 760 mmHg
Vapour Pressure: 7.42E-07 mmHg at 25°C
Classification Code: Mutation data, Tumor data
SMILES: [O-][N+](=O)c2c1c(ccc(Cl)c1)[n+]([O-])cc2 Copy
InChI: InChI=1/C9H5ClN2O3/c10-6-1-2-8-7(5-6)9(12(14)15)3-4-11(8)13/h1-5H
InChIKey: WJRQJTJYCZGDBW-UHFFFAOYAN
Std. InChI: InChI=1S/C9H5ClN2O3/c10-6-1-2-8-7(5-6)9(12(14)15)3-4-11(8)13/h1-5H
Std. InChIKey: WJRQJTJYCZGDBW-UHFFFAOYSA-N
1. | cyt-hmn:lvr 5260 nmol/L | JNCIAM Journal of the National Cancer Institute. 47 (1971),367. | ||
2. | dnd-mus:fbr 10 µmol/L | CNREA8 Cancer Research. 35 (1975),521. | ||
3. | otr-ham:emb 4 µmol/L | PJACAW Proceedings of the Japan Academy. 42 (1966),1211. | ||
4. | dns-ham:oth 500 µmol/L | NATUAS Nature. 229 (1971),416. | ||
5. | dnd-mam:lym 5 mg | BIPMAA Biopolymers. 4 (1966),409. |
EPA Genetic Toxicology Program.
Questionable carcinogen with experimental tumorigenic data by skin contact and other routes. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
6-Chloro-4-nitroquinoline 1-oxide , its cas register number is 3741-12-6. It also can be called 4-20-00-03400 (Beilstein Handbook Reference) ; BRN 0199266 ; CCRIS 871 . When 6-Chloro-4-nitroquinoline 1-oxide (CAS NO.3741-12-6) is heated to decomposition it emits very toxic fumes of Cl− and NOx. The storage environment should be ventilate, low-temperature and dry.
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